Journal of Physical Chemistry, 2003, V 107, N 22, 5 June
ARTICLES
DYNAMICS AND RELAXATION
Photodissociation of Methacrylonitrile at 193 nm: The CN Radical Product Channel
Chang Young Oh, Seung Keun Shin, Hong Lae Kim, and Chan Ryang Park
pp 4333 - 4338;
Oxygenation of -Methylstyrene with Molecular Oxygen,
Catalyzed by 10-Methylacridinium Ion via
Photoinduced Electron Transfer
Kyou Suga, Kei Ohkubo, and Shunichi Fukuzumi
pp 4339 - 4346;
Detailed Picosecond Kerr-Gated Time-Resolved Resonance
Raman Spectroscopy and Time-Resolved Emission Studies
of Merocyanine 540 in Various Solvents
Andrew C. Benniston, Pavel Matousek, Iain E. McCulloch,
Anthony W. Parker, and Michael Towrie
pp 4347 - 4353;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Mid-Infrared Spectrum of the Gas-Phase Ethyl Peroxy Radical: C2H5OO
Daisy Ann Mah, Jose Cabrera, Humberto Nation,
Mauricio Ramos, Shantanu Sharma, and Scott L. Nickolaisen
pp 4354 - 4359;
Interpretation of Single-Crystal Vibrational Spectra and Entropy
of Pyrope and Almandine Using a Rigid-Ion Lattice-Dynamical Model
Carlo Maria Gramaccioli and Tullio Pilati
pp 4360 - 4366;
Laser-Induced Fluorescence Spectroscopy of the BaNC
Free Radical in a Supersonic Jet
Victor Mikhailov, Martyn D. Wheeler, and Andrew M. Ellis
pp 4367 - 4372; (
Mixed-Valence Properties of an Acetate-Bridged Dinuclear
Ruthenium (II,III) Complex
Reiner Lomoth, Ann Magnuson, Yunhua Xu, and Licheng Sun
pp 4373 - 4380; (
Binding Energies of the Neutral and Ionic Clusters
of Naphthalene in Their Ground Electronic States
Takashige Fujiwara and Edward C. Lim
pp 4381 - 4386;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
A Detailed Mechanism of the Surface-Mediated Formation
of PCDD/F from the Oxidation of 2-Chlorophenol
on a CuO/Silica Surface
Slawomir Lomnicki and Barry Dellinger
pp 4387 - 4395;
Activation of CH4 by Gas-Phase Zr+ and the
Thermochemistry of Zr-Ligand Complexes
P. B. Armentrout and M. R. Sievers
pp 4396 - 4406;
Kinetic Study and Theoretical Analysis of Hydroxyl Radical
Trapping and Spin Adduct Decay of Alkoxycarbonyl and
Dialkoxyphosphoryl Nitrones in Aqueous Media
Frederick A. Villamena, Christopher M. Hadad, and Jay L. Zweier
pp 4407 - 4414;
Measurements, Theory, and Modeling of OH Formation
in Ethyl + O2 and Propyl + O2 Reactions
John D. DeSain, Stephen J. Klippenstein,
James A. Miller, and Craig A. Taatjes
pp 4415 - 4427;
Spatial Periodic Perturbation of Turing Pattern
Development Using a Striped Mask
Igal Berenstein, Milos Dolnik,
Anatol M. Zhabotinsky, and Irving R. Epstein
pp 4428 - 4435; (
Raman Spectroscopy as a Probe of Low-Temperature
Ionic Speciation in Nitric and Sulfuric Acid Stratospheric Mimic Systems
Nicholas Minogue, Eoin Riordan, and John R. Sodeau
pp 4436 - 4444;
Nanosecond Laser Photolysis of Ni(II) Tetraphenylporphyrin.
Kinetic Studies on Association and Dissociation
of Aliphatic Amines at the Axial Positions
Hiroyuki Suzuki, Haruna Adachi,
Yoshio Miyazaki, and Mikio Hoshino
pp 4445 - 4451;
Reaction-Diffusion Patterns of the Chlorite-Tetrathionat
System in a Conical Geometry
Fabienne Gauffre, Vincent Labrot, Jacques Boissonade,
Patrick De Kepper, and Etiennette Dulos
pp 4452 - 4456;
Cavity Ring-Down Spectroscopy of the Benzyl Radical
Kenichi Tonokura and Mitsuo Koshi
pp 4457 - 4461;
Reduction of Substituted Benzenediazonium Salts by Hydrogen
Atoms in Aqueous Acidic Solution Studied by Pulse Radiolysis
Kim Daasbjerg and Knud Sehested
pp 4462 - 4469;
Experimental and Computational Study of the Kinetics of OH
+ Pyridine and Its Methyl- and Ethyl-Substituted Derivatives
Laurence Y. Yeung and Matthew J. Elrod
pp 4470 - 4477;
Is Bimolecular Reduction of Hg(II) Complexes Possible
in Aqueous Systems of Environmental Importance
Katarina Ga*rdfeldt and Mats Jonsson
pp 4478 - 4482;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
The Pitzer Free Rotor Model for Nondegenerate Modes:
Application to the Long-Range Behavior of Halogen
Radical Reactions with Substituted Olefins
Mohamed Kharroubi and Pascal de Sainte Claire
pp 4483 - 4489;
Variational Transition-State Theory Rate Constant
Calculations of the OH + CH3SH Reaction and Several Isotopic Variants
Laura Masgrau, A`ngels Gonza'lez-Lafont, and Jose' M. Lluch
pp 4490 - 4496;
Low-Temperature Fluorination of Silica by a Nonaqueous Solution of NH4F
R. M. Barabash, V. N. Zaitsev, T. V. Kovalchuk, H. Sfihi, and J. Fraissard
pp 4497 - 4505;
Structure and Stability of M-CO, M = First-Transition-Row Metal:
An Application of Density Functional Theory and Topological Approaches
Julien Pilme, Bernard Silvi, and Mohammad Esmail Alikhani
pp 4506 - 4514;
Modeling Complexes of the Uranyl Ion UO2L2n+: Binding Energies,
Geometries, and Bonding Analysis
Carine Clavague'ra-Sarrio, Sophie Hoyau, Nina Ismail,
and Colin J. Marsden
pp 4515 - 4525;
Is the Hydrogen Atomic Charge Representative of
the Acidity of Parasubstituted Phenols?
Mari'a de L. Romero and Francisco Me'ndez
pp 4526 - 4530;
Structures, Intramolecular Rotation Barriers, and
Thermochemical Properties of Methyl Ethyl,
Methyl Isopropyl, and Methyl tert-Butyl Ethers
and the Corresponding Radicals
Chiung-Chu Chen and Joseph W. Bozzelli
pp 4531 - 4546;
Molecular Structure and Infrared Spectra of
4-Fluorophenol: A Combined Theoretical and Spectroscopic Study
Wiktor Zierkiewicz, Danuta Michalska, Bogus
wa Czarnik-Matusewicz, and Maria Rospenk
pp 4547 - 4554;
Mechanism of Cis-to-Trans Isomerization of Azobenzene: Direct MD Study
Tsutomu Ikegami, Noriyuki Kurita, Hideo Sekino, and Yasuyuki Ishikawa
pp 4555 - 4562;
Comparative Study of Molecular Mechanics and Theoretical
Conformational Analysis of a New 16-Crown-5
Ether via X-ray Crystallography and NMR Spectroscopy
Chia-Ching Su, Li-Hwa Lu, and Lilian Kao Liu
pp 4563 - 4567;
Computational Analysis of Mo and W Oxoanions
through Bond Order and Bonding Energy Approaches
Adam J. Bridgeman and Germa'n Cavigliasso
pp 4568 - 4577;
Ester Hydrolysis Rate Constant Prediction from
Quantum Topological Molecular Similarity Descriptors
U. A. Chaudry and P. L. A. Popelier
pp 4578 - 4582;